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Orazio Nicolotti
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2020 – today
- 2024
- [j19]Muzammil Kabier, Nicola Gambacorta, Daniela Trisciuzzi, Sunil Kumar, Orazio Nicolotti
, Bijo Mathew
MzDOCK: A free ready-to-use GUI-based pipeline for molecular docking simulations. J. Comput. Chem. 45(23, September): 1980-1986 (2024) - 2023
- [j18]Maria Vittoria Togo
TIRESIA: An eXplainable Artificial Intelligence Platform for Predicting Developmental Toxicity. J. Chem. Inf. Model. 63(1): 56-66 (2023) - [j17]Nicola Gambacorta, Fulvio Ciriaco
CIRCE: Web-Based Platform for the Prediction of Cannabinoid Receptor Ligands Using Explainable Machine Learning. J. Chem. Inf. Model. 63(18): 5916-5926 (2023) - 2022
- [j16]Daniela Trisciuzzi, Lydia Siragusa
Getting Insights into Structural and Energetic Properties of Reciprocal Peptide-Protein Interactions. J. Chem. Inf. Model. 62(4): 1113-1125 (2022) - [j15]Daniela Trisciuzzi, Lydia Siragusa
An Integrated Machine Learning Model To Spot Peptide Binding Pockets in 3D Protein Screening. J. Chem. Inf. Model. 62(24): 6812-6824 (2022) - 2021
- [j14]Fulvio Ciriaco
Quantitative Polypharmacology Profiling Based on a Multifingerprint Similarity Predictive Approach. J. Chem. Inf. Model. 61(10): 4868-4876 (2021) - 2020
- [j13]Domenico Alberga
De Novo Drug Design of Targeted Chemical Libraries Based on Artificial Intelligence and Pair-Based Multiobjective Optimization. J. Chem. Inf. Model. 60(10): 4582-4593 (2020)
2010 – 2019
- 2019
- [j12]Domenico Alberga
A New Approach for Drug Target and Bioactivity Prediction: The Multifingerprint Similarity Search Algorithm (MuSSeL). J. Chem. Inf. Model. 59(1): 586-596 (2019) - 2017
- [j11]Daniela Trisciuzzi, Domenico Alberga
Predictive Structure-Based Toxicology Approaches To Assess the Androgenic Potential of Chemicals. J. Chem. Inf. Model. 57(11): 2874-2884 (2017) - 2015
- [j10]Daimel Castillo-González
Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands. J. Chem. Inf. Model. 55(10): 2094-2110 (2015) - 2014
- [j9]Matteo Floris
A generalizable definition of chemical similarity for read-across. J. Cheminformatics 6(1): 39 (2014) - 2010
- [j8]Ilenia Giangreco
Analysis of X-ray Structures of Matrix Metalloproteinases via Chaotic Map Clustering. BMC Bioinform. 11: 500 (2010) - [j7]Orazio Nicolotti
Screening of benzamidine-based thrombin inhibitors via a linear interaction energy in continuum electrostatics model. J. Comput. Aided Mol. Des. 24(2): 117-129 (2010)
2000 – 2009
- 2009
- [j6]Orazio Nicolotti
Improving Quantitative Structure-Activity Relationships through Multiobjective Optimization. J. Chem. Inf. Model. 49(10): 2290-2302 (2009) - 2008
- [j5]Orazio Nicolotti
An Integrated Approach to Ligand- and Structure-Based Drug Design: Development and Application to a Series of Serine Protease Inhibitors. J. Chem. Inf. Model. 48(6): 1211-1226 (2008) - 2007
- [j4]Orazio Nicolotti
Screening of Matrix Metalloproteinases Available from the Protein Data Bank: Insights into Biological Functions, Domain Organization, and Zinc Binding Groups. J. Chem. Inf. Model. 47(6): 2439-2448 (2007) - 2006
- [j3]Orazio Nicolotti
QSAR and QSPR Studies of a Highly Structured Physicochemical Domain. J. Chem. Inf. Model. 46(1): 264-276 (2006) - 2001
- [j2]Orazio Nicolotti
Neuronal nicotinic receptor agonists: a multi-approach development of the pharmacophore. J. Comput. Aided Mol. Des. 15(9): 859-872 (2001) - [j1]Orazio Nicolotti
Erratum to 'Neuronal nicotinic receptor agonists: a multi-approach development of the pharmacophore' [J. Comput. Aid. Mol. Des., Vol. 15 (2001) 859]. J. Comput. Aided Mol. Des. 15(12): 1153 (2001)
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